Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-
TL;DR: Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- (CAS 3614-74-2) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
Also Known As: BD 3, 1-(1,4-Benzodioxan-2-ylmethyl)pyrrolidine, Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-, Pyrrolidine,1-(1,4-benzodioxan-2-ylmethyl), 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 3614-74-2 |
|---|---|
| SMILES | C1CCN(C1)CC2COC3=CC=CC=C3O2 |
| InChIKey | DZRUWBABCQULJK-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- (CAS 3614-74-2), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine.
Chemical Property Profile of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-
Property Insights of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-. With a topological polar surface area (TPSA) of 21.7 Ų, Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-?
The CAS number of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- is 3614-74-2.
What is the molecular formula of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-?
The molecular formula of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- is C13H17NO2.
What is the molecular weight of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-?
The molecular weight of Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- is 219.13 g/mol.
Where can I buy Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-?
You can request a quote for Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(1,4-benzodioxan-2-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.